Changeset 130d4c7 in sasmodels
 Timestamp:
 Feb 14, 2017 12:43:14 PM (4 years ago)
 Branches:
 master, core_shell_microgels, costrafo411, magnetic_model, ticket1257vesicleproduct, ticket_1156, ticket_1265_superball, ticket_822_more_unit_tests
 Children:
 9ed53e7, a38b065
 Parents:
 1105286
 File:

 1 edited
Legend:
 Unmodified
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 Removed

sasmodels/models/ellipsoid.c
r925ad6e r130d4c7 4 4 double radius_polar, double radius_equatorial, double theta, double phi); 5 5 6 double _ellipsoid_kernel(double q, double radius_polar, double radius_equatorial, double sin_alpha); 7 double _ellipsoid_kernel(double q, double radius_polar, double radius_equatorial, double sin_alpha)6 static double 7 _ellipsoid_kernel(double q, double radius_polar, double radius_equatorial, double cos_alpha) 8 8 { 9 9 double ratio = radius_polar/radius_equatorial; 10 // Given the following under the radical: 11 // 1 + sin^2(T) (v^2  1) 12 // we can expand to match the form given in Guinier (1955) 13 // = (1  sin^2(T)) + v^2 sin^2(T) = cos^2(T) + sin^2(T) 10 // Using ratio v = Rp/Re, we can expand the following to match the 11 // form given in Guinier (1955) 12 // r = Re * sqrt(1 + cos^2(T) (v^2  1)) 13 // = Re * sqrt( (1  cos^2(T)) + v^2 cos^2(T) ) 14 // = Re * sqrt( sin^2(T) + v^2 cos^2(T) ) 15 // = sqrt( Re^2 sin^2(T) + Rp^2 cos^2(T) ) 16 // 14 17 // Instead of using pythagoras we could pass in sin and cos; this may be 15 18 // slightly better for 2D which has already computed it, but it introduces … … 17 20 // leave it as is. 18 21 const double r = radius_equatorial 19 * sqrt(1.0 + sin_alpha*sin_alpha*(ratio*ratio  1.0));22 * sqrt(1.0 + cos_alpha*cos_alpha*(ratio*ratio  1.0)); 20 23 const double f = sas_3j1x_x(q*r); 21 24 … … 39 42 double total = 0.0; 40 43 for (int i=0;i<76;i++) { 41 //const double sin_alpha = (Gauss76Z[i]*(upperlower) + upper + lower)/2;42 const double sin_alpha = Gauss76Z[i]*zm + zb;43 total += Gauss76Wt[i] * _ellipsoid_kernel(q, radius_polar, radius_equatorial, sin_alpha);44 //const double cos_alpha = (Gauss76Z[i]*(upperlower) + upper + lower)/2; 45 const double cos_alpha = Gauss76Z[i]*zm + zb; 46 total += Gauss76Wt[i] * _ellipsoid_kernel(q, radius_polar, radius_equatorial, cos_alpha); 44 47 } 45 48 // translate dx in [1,1] to dx in [lower,upper] … … 59 62 double q, sin_alpha, cos_alpha; 60 63 ORIENT_SYMMETRIC(qx, qy, theta, phi, q, sin_alpha, cos_alpha); 61 const double form = _ellipsoid_kernel(q, radius_polar, radius_equatorial, sin_alpha);64 const double form = _ellipsoid_kernel(q, radius_polar, radius_equatorial, cos_alpha); 62 65 const double s = (sld  sld_solvent) * form_volume(radius_polar, radius_equatorial); 63 66
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